On the public citation graph

Thermodynamic Insight in the High-Pressure Behavior of UiO-66: Effect of Linker Defects and Linker Expansion

https://doi.org/10.1021/acs.chemmater.6b01956

0 signed · 235 inferred · view as graph

Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.

Is this your work? Sign in with ORCID and put your name on the claims that are yours.

Claim with ORCID

Reference health. See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.

See reference health

What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/(sici)1096-987x(199604)17:5/6<520::aid-jcc2>3.0.co;2-wopenalex-snapshot

Merck molecular force field. II. MMFF94 van der Waals and electrostatic parameters for intermolecular interactions

inferredcites →https://doi.org/10.1002/andp.19213690304openalex-snapshot

Die Berechnung optischer und elektrostatischer Gitterpotentiale

inferredcites →https://doi.org/10.1002/anie.200300610openalex-snapshot

Functional Porous Coordination Polymers

inferredcites →https://doi.org/10.1002/anie.201411540openalex-snapshot

Defect‐Engineered Metal–Organic Frameworks

inferredcites →https://doi.org/10.1002/anie.201505461openalex-snapshot

Definitive Molecular Level Characterization of Defects in UiO‐66 Crystals

inferredcites →https://doi.org/10.1002/anie.201509352openalex-snapshot

A Computational and Experimental Approach Linking Disorder, High‐Pressure Behavior, and Mechanical Properties in UiO Frameworks

inferredcites →https://doi.org/10.1002/asia.201100201openalex-snapshot

An Evaluation of UiO‐66 for Gas‐Based Applications

inferredcites →https://doi.org/10.1002/chem.201001415openalex-snapshot

Mechanical Properties of Dense Zeolitic Imidazolate Frameworks (ZIFs): A High‐Pressure X‐ray Diffraction, Nanoindentation and Computational Study of the Zinc Framework Zn(Im)2, and its LithiumBoron Analogue, LiB(Im)4

inferredcites →https://doi.org/10.1002/chem.201003211openalex-snapshot

Modulated Synthesis of Zr‐Based Metal–Organic Frameworks: From Nano to Single Crystals

inferredcites →https://doi.org/10.1002/chem.201300326openalex-snapshot

Ionic Conductivity in the Metal–Organic Framework UiO‐66 by Dehydration and Insertion of Lithium tert‐Butoxide

inferredcites →https://doi.org/10.1002/chem.201600330openalex-snapshot

A Breathing Zirconium Metal–Organic Framework with Reversible Loss of Crystallinity by Correlated Nanodomain Formation

inferredcites →https://doi.org/10.1002/cphc.201000362openalex-snapshot

Probing the Mechanical Properties of Hybrid Inorganic–Organic Frameworks: A Computational and Experimental Study

inferredcites →https://doi.org/10.1002/cssc.200800203openalex-snapshot

Isoreticular MOFs as Efficient Photocatalysts with Tunable Band Gap: An Operando FTIR Study of the Photoinduced Oxidation of Propylene

inferredcites →https://doi.org/10.1002/jcc.23877openalex-snapshot

QuickFF: A program for a quick and easy derivation of force fields for metal‐organic frameworks from ab initio input

inferredcites →https://doi.org/10.1002/pssb.201248460openalex-snapshot

MOF‐FF – A flexible first‐principles derived force field for metal‐organic frameworks

inferredcites →https://doi.org/10.1006/jcph.1995.1039openalex-snapshot

Fast Parallel Algorithms for Short-Range Molecular Dynamics

inferredcites →https://doi.org/10.1007/s11244-013-0027-0openalex-snapshot

In Situ Infrared Spectroscopic and Gravimetric Characterisation of the Solvent Removal and Dehydroxylation of the Metal Organic Frameworks UiO-66 and UiO-67

inferredcites →https://doi.org/10.1016/0263-7855(96)00018-5openalex-snapshot

VMD: Visual molecular dynamics

inferredcites →https://doi.org/10.1016/j.cplett.2007.02.065openalex-snapshot

QTPIE: Charge transfer with polarization current equalization. A fluctuating charge model with correct asymptotics

inferredcites →https://doi.org/10.1016/j.jcat.2015.08.015openalex-snapshot

Mechanistic studies of aldol condensations in UiO-66 and UiO-66-NH 2 metal organic frameworks

inferredcites →https://doi.org/10.1016/j.jmgm.2013.05.007openalex-snapshot

Characterization and comparison of pore landscapes in crystalline porous materials

inferredcites →https://doi.org/10.1016/j.micromeso.2011.08.020openalex-snapshot

Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials

inferredcites →https://doi.org/10.1016/j.micromeso.2013.02.025openalex-snapshot

Effects of pelletization pressure on the physical and chemical properties of the metal–organic frameworks Cu3(BTC)2 and UiO-66

inferredcites →https://doi.org/10.1016/j.micromeso.2015.11.055openalex-snapshot

Systematic study of the chemical and hydrothermal stability of selected “stable” Metal Organic Frameworks

inferredcites →https://doi.org/10.1016/j.powtec.2013.09.013openalex-snapshot

Towards industrial use of metal-organic framework: Impact of shaping on the MOF properties

inferredcites →https://doi.org/10.1016/s0166-1280(09)80008-0openalex-snapshot

Molecular mechanics parameters

inferredcites →https://doi.org/10.1021/acs.chemmater.5b00046openalex-snapshot

Responsive Metal–Organic Frameworks and Framework Materials: Under Pressure, Taking the Heat, in the Spotlight, with Friends

inferredcites →https://doi.org/10.1021/acs.chemmater.5b00665openalex-snapshot

Defect Control To Enhance Proton Conductivity in a Metal–Organic Framework

inferredcites →https://doi.org/10.1021/acs.inorgchem.5b01053openalex-snapshot

Metal–Organic Framework (MOF) Defects under Control: Insights into the Missing Linker Sites and Their Implication in the Reactivity of Zirconium-Based Frameworks

inferredcites →https://doi.org/10.1021/acs.inorgchem.5b01593openalex-snapshot

Understanding Intrinsic Light Absorption Properties of UiO-66 Frameworks: A Combined Theoretical and Experimental Study

inferredcites →https://doi.org/10.1021/acs.jctc.5b00748openalex-snapshot

A Comparison of Barostats for the Mechanical Characterization of Metal–Organic Frameworks

inferredcites →https://doi.org/10.1021/acs.jctc.6b00456openalex-snapshot

Minimal Basis Iterative Stockholder: Atoms in Molecules for Force-Field Development

inferredcites →https://doi.org/10.1021/acs.jpcc.6b04422openalex-snapshot

Exploring the Flexibility of MIL-47(V)-Type Materials Using Force Field Molecular Dynamics Simulations

inferredcites →https://doi.org/10.1021/acs.jpclett.5b01135openalex-snapshot

Defects in Metal–Organic Frameworks: Challenge or Opportunity?

inferredcites →https://doi.org/10.1021/acs.jpclett.6b00297openalex-snapshot

Assessment of MOF’s Quality: Quantifying Defect Content in Crystalline Porous Materials

inferredcites →https://doi.org/10.1021/cg501386jopenalex-snapshot

Detailed Structure Analysis of Atomic Positions and Defects in Zirconium Metal–Organic Frameworks

inferredcites →https://doi.org/10.1021/ci200386xopenalex-snapshot

Addressing Challenges of Identifying Geometrically Diverse Sets of Crystalline Porous Materials

inferredcites →https://doi.org/10.1021/ci8000748openalex-snapshot

ZEOBUILDER: A GUI Toolkit for the Construction of Complex Molecular Structures on the Nanoscale with Building Blocks

inferredcites →https://doi.org/10.1021/cm011070nopenalex-snapshot

Microporous Solids: From Organically Templated Inorganic Skeletons to Hybrid Frameworks...Ecumenism in Chemistry

inferredcites →https://doi.org/10.1021/cm1022882openalex-snapshot

Disclosing the Complex Structure of UiO-66 Metal Organic Framework: A Synergic Combination of Experiment and Theory

inferredcites →https://doi.org/10.1021/cm102601vopenalex-snapshot

Synthesis and Stability of Tagged UiO-66 Zr-MOFs

inferredcites →https://doi.org/10.1021/cm501859popenalex-snapshot

Tuned to Perfection: Ironing Out the Defects in Metal–Organic Framework UiO-66

inferredcites →https://doi.org/10.1021/cr200256vopenalex-snapshot

Metal–Organic Frameworks in Biomedicine

inferredcites →https://doi.org/10.1021/cr300014xopenalex-snapshot

Introduction to Metal–Organic Frameworks

inferredcites →https://doi.org/10.1021/ct300172mopenalex-snapshot

Ab Initio Parametrized Force Field for the Flexible Metal–Organic Framework MIL-53(Al)

inferredcites →https://doi.org/10.1021/ja00205a001openalex-snapshot

Molecular mechanics. The MM3 force field for hydrocarbons. 1

inferredcites →https://doi.org/10.1021/ja00205a003openalex-snapshot

Molecular mechanics. The MM3 force field for hydrocarbons. 3. The van der Waals' potentials and crystal data for aliphatic and aromatic hydrocarbons

inferredcites →https://doi.org/10.1021/ja404514ropenalex-snapshot

Unusual and Highly Tunable Missing-Linker Defects in Zirconium Metal–Organic Framework UiO-66 and Their Important Effects on Gas Adsorption

inferredcites →https://doi.org/10.1021/ja405078uopenalex-snapshot

Synthesis Modulation as a Tool To Increase the Catalytic Activity of Metal–Organic Frameworks: The Unique Case of UiO-66(Zr)

inferredcites →https://doi.org/10.1021/ja503218jopenalex-snapshot

Structural Complexity in Metal–Organic Frameworks: Simultaneous Modification of Open Metal Sites and Hierarchical Porosity by Systematic Doping with Defective Linkers

inferredcites →https://doi.org/10.1021/ja5063423openalex-snapshot

Ordered Vacancies and Their Chemistry in Metal–Organic Frameworks

inferredcites →https://doi.org/10.1021/ja8057953openalex-snapshot

A New Zirconium Inorganic Building Brick Forming Metal Organic Frameworks with Exceptional Stability

inferredcites →https://doi.org/10.1021/ja904156sopenalex-snapshot

Multiferroic Behavior Associated with an Order−Disorder Hydrogen Bonding Transition in Metal−Organic Frameworks (MOFs) with the Perovskite ABX3 Architecture

inferredcites →https://doi.org/10.1021/jacs.5b07267openalex-snapshot

The Role of a Three Dimensionally Ordered Defect Sublattice on the Acidity of a Sulfonated Metal–Organic Framework

inferredcites →https://doi.org/10.1021/jp075389sopenalex-snapshot

Metal−Organic Frameworks Provide Large Negative Thermal Expansion Behavior

inferredcites →https://doi.org/10.1021/jz4002345openalex-snapshot

Exceptional Mechanical Stability of Highly Porous Zirconium Metal–Organic Framework UiO-66 and Its Important Implications

inferredcites →https://doi.org/10.1021/jz400880popenalex-snapshot

Investigating the Pressure-Induced Amorphization of Zeolitic Imidazolate Framework ZIF-8: Mechanical Instability Due to Shear Mode Softening

inferredcites →https://doi.org/10.1038/46248openalex-snapshot

Design and synthesis of an exceptionally stable and highly porous metal-organic framework

inferredcites →https://doi.org/10.1038/natrevmats.2015.18openalex-snapshot

Chemical, thermal and mechanical stabilities of metal–organic frameworks

inferredcites →https://doi.org/10.1038/nature01650openalex-snapshot

Reticular synthesis and the design of new materials

inferredcites →https://doi.org/10.1038/ncomms5176openalex-snapshot

Correlated defect nanoregions in a metal–organic framework

inferredcites →https://doi.org/10.1039/b802426jopenalex-snapshot

Selective gas adsorption and separation in metal–organic frameworks

inferredcites →https://doi.org/10.1039/b804680hopenalex-snapshot

Industrial applications of metal–organic frameworks

inferredcites →https://doi.org/10.1039/b807080fopenalex-snapshot

Metal–organic framework materials as catalysts

inferredcites →https://doi.org/10.1039/c0cs00163eopenalex-snapshot

Mechanical properties of hybrid inorganic–organic framework materials: establishing fundamental structure–property relationships

inferredcites →https://doi.org/10.1039/c1cc12101dopenalex-snapshot

Postsynthetic modification at orthogonal reactive sites on mixed, bifunctional metal–organic frameworks

inferredcites →https://doi.org/10.1039/c1cp23434jopenalex-snapshot

H 2 storage in isostructural UiO-67 and UiO-66 MOFs

inferredcites →https://doi.org/10.1039/c2cc34714hopenalex-snapshot

CH4 storage and CO2 capture in highly porous zirconium oxide based metal–organic frameworks

inferredcites →https://doi.org/10.1039/c3ta10662dopenalex-snapshot

Stability and degradation mechanisms of metal–organic frameworks containing the Zr6O4(OH)4 secondary building unit

inferredcites →https://doi.org/10.1039/c4cc04945dopenalex-snapshot

Water adsorption in UiO-66: the importance of defects

inferredcites →https://doi.org/10.1039/c4ce01672fopenalex-snapshot

Active site engineering in UiO-66 type metal–organic frameworks by intentional creation of defects: a theoretical rationalization

inferredcites →https://doi.org/10.1039/c4cs00003jopenalex-snapshot

Tuning the structure and function of metal–organic frameworks via linker design

inferredcites →https://doi.org/10.1039/c4cs00135dopenalex-snapshot

A supermolecular building approach for the design and construction of metal–organic frameworks

inferredcites →https://doi.org/10.1039/c4cs90059fopenalex-snapshot

Metal–Organic Frameworks (MOFs)

inferredcites →https://doi.org/10.1039/c4tc00902aopenalex-snapshot

Computational exploration of newly synthesized zirconium metal–organic frameworks UiO-66, -67, -68 and analogues

inferredcites →https://doi.org/10.1039/c5ce01388gopenalex-snapshot

Fine-tuning the theoretically predicted structure of MIL-47(V) with the aid of powder X-ray diffraction

inferredcites →https://doi.org/10.1039/c5cp01307kopenalex-snapshot

Defect-dependent colossal negative thermal expansion in UiO-66(Hf) metal–organic framework

inferredcites →https://doi.org/10.1039/c5dt03178hopenalex-snapshot

Postsynthetic bromination of UiO-66 analogues: altering linker flexibility and mechanical compliance

inferredcites →https://doi.org/10.1039/c5dt03359dopenalex-snapshot

De facto methodologies toward the synthesis and scale-up production of UiO-66-type metal–organic frameworks and membrane materials

inferredcites →https://doi.org/10.1039/c5dt03477aopenalex-snapshot

A comparison of the amorphization of zeolitic imidazolate frameworks (ZIFs) and aluminosilicate zeolites by ball-milling

inferredcites →https://doi.org/10.1039/c5dt03522hopenalex-snapshot

Origin of highly active metal–organic framework catalysts: defects? Defects!

inferredcites →https://doi.org/10.1039/c5dt03621fopenalex-snapshot

Exploration of the mechanical behavior of metal organic frameworks UiO-66(Zr) and MIL-125(Ti) and their NH 2 functionalized versions

inferredcites →https://doi.org/10.1039/c5dt04330aopenalex-snapshot

Defects in metal–organic frameworks: a compromise between adsorption and stability?

inferredcites →https://doi.org/10.1039/c5dt04392aopenalex-snapshot

Defects and disorder in metal organic frameworks

inferredcites →https://doi.org/10.1039/c5sc02794bopenalex-snapshot

Mechanical energy storage performance of an aluminum fumarate metal–organic framework

inferredcites →https://doi.org/10.1039/c5sc04953aopenalex-snapshot

Dynamic acidity in defective UiO-66

inferredcites →https://doi.org/10.1039/c6dt00189kopenalex-snapshot

Defect engineering of UiO-66 for CO 2 and H 2 O uptake – a combined experimental and simulation study

inferredcites →https://doi.org/10.1063/1.1749657openalex-snapshot

Statistical Mechanics of Fluid Mixtures

inferredcites →https://doi.org/10.1063/1.438955openalex-snapshot

Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

inferredcites →https://doi.org/10.1063/1.447334openalex-snapshot

A unified formulation of the constant temperature molecular dynamics methods

inferredcites →https://doi.org/10.1063/1.448975openalex-snapshot

Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

inferredcites →https://doi.org/10.1063/1.463940openalex-snapshot

Nosé–Hoover chains: The canonical ensemble via continuous dynamics

inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot

Density-functional thermochemistry. III. The role of exact exchange

inferredcites →https://doi.org/10.1063/1.467468openalex-snapshot

Constant pressure molecular dynamics algorithms

inferredcites →https://doi.org/10.1063/1.4891578openalex-snapshot

Challenges in first-principles NPT molecular dynamics of soft porous crystals: A case study on MIL-53(Ga)

inferredcites →https://doi.org/10.1063/1.4904818openalex-snapshot

Thermal and mechanical stability of zeolitic imidazolate frameworks polymorphs

inferredcites →https://doi.org/10.1063/1.4904966openalex-snapshot

Research Update: Mechanical properties of metal-organic frameworks – Influence of structure and chemical bonding

inferredcites →https://doi.org/10.1073/pnas.1003205107openalex-snapshot

Chemical structure, network topology, and porosity effects on the mechanical properties of Zeolitic Imidazolate Frameworks

inferredcites →https://doi.org/10.1080/00268978400101201openalex-snapshot

A molecular dynamics method for simulations in the canonical ensemble

inferredcites →https://doi.org/10.1080/00268979600100761openalex-snapshot

Explicit reversible integrators for extended systems dynamics

inferredcites →https://doi.org/10.1080/01418610008223897openalex-snapshot

The internal stability of an elastic solid

inferredcites →https://doi.org/10.1088/0953-8984/22/25/253202openalex-snapshot

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

inferredcites →https://doi.org/10.1103/physreva.31.1695openalex-snapshot

Canonical dynamics: Equilibrium phase-space distributions

inferredcites →https://doi.org/10.1103/physreva.38.3098openalex-snapshot

Density-functional exchange-energy approximation with correct asymptotic behavior

inferredcites →https://doi.org/10.1103/physrevb.37.785openalex-snapshot

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

inferredcites →https://doi.org/10.1103/physrevb.71.035109openalex-snapshot

Real-space grid implementation of the projector augmented wave method

inferredcites →https://doi.org/10.1107/s0021889802022112openalex-snapshot

Single-crystal structure validation with the program PLATON

inferredcites →https://doi.org/10.1107/s2052520615018168openalex-snapshot

Structural studies of metal–organic frameworks under high pressure

inferredcites →https://doi.org/10.1109/5992.998641openalex-snapshot

An object-oriented scripting interface to a legacy electronic structure code

inferredcites →https://doi.org/10.1119/1.1934457openalex-snapshot

Introduction to Solid State Physics

inferredcites →https://doi.org/10.1126/science.1067208openalex-snapshot

Systematic Design of Pore Size and Functionality in Isoreticular MOFs and Their Application in Methane Storage

inferredcites →https://doi.org/10.1126/science.1230444openalex-snapshot

The Chemistry and Applications of Metal-Organic Frameworks

inferredcites →https://doi.org/10.1139/p80-159openalex-snapshot

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4188433openalex-extracted

inferred← citeshttps://doi.org/10.2139/ssrn.4530731openalex-extracted

A Simulation Study of Linker Vacancy Distribution and its Effect on Uio-66 Stability

inferred← citeshttps://doi.org/10.1002/adma.201704124openalex-snapshot

Mechanical Properties in Metal–Organic Frameworks: Emerging Opportunities and Challenges for Device Functionality and Technological Applications

inferred← citeshttps://doi.org/10.1002/adma.201704501openalex-snapshot

Defective Metal‐Organic Frameworks

inferred← citeshttps://doi.org/10.1002/adma.202304832openalex-snapshot

How Reproducible is the Synthesis of Zr–Porphyrin Metal–Organic Frameworks? An Interlaboratory Study

inferred← citeshttps://doi.org/10.1002/cctc.201601689openalex-snapshot

The Remarkable Amphoteric Nature of Defective UiO‐66 in Catalytic Reactions

inferred← citeshttps://doi.org/10.1002/chem.201700365openalex-snapshot

Defective Metal–Organic Frameworks Incorporating Iridium‐Based Metalloligands: Sorption and Dye Degradation Properties

inferred← citeshttps://doi.org/10.1002/chem.201903178openalex-snapshot

Dynamic Interplay between Defective UiO‐66 and Protic Solvents in Activated Processes

inferred← citeshttps://doi.org/10.1002/cphc.201701109openalex-snapshot

Influence of a Confined Methanol Solvent on the Reactivity of Active Sites in UiO‐66

inferred← citeshttps://doi.org/10.1002/cphc.202100673openalex-snapshot

Synthesis and Mechanical Properties of sub 5‐μm PolyUiO‐66 Thin Films on Gold Surfaces

inferred← citeshttps://doi.org/10.1002/ejic.201800985openalex-snapshot

Solvent‐Free Encapsulation at High Pressure with Carboxylate‐Based MOFs

inferred← citeshttps://doi.org/10.1002/ijch.70025openalex-snapshot

Engineering Processing of Metal–Organic Frameworks: From Porous Crystals to Processable Composites

inferred← citeshttps://doi.org/10.1002/jcc.25173openalex-snapshot

Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal–organic frameworks

inferred← citeshttps://doi.org/10.1002/jcc.70140openalex-snapshot

Parametrization of Zirconium for DFTB3/3OB: A Pathway to Study Complex Zr‐Compounds for Biomedical and Material Science Applications

inferred← citeshttps://doi.org/10.1002/slct.73598openalex-snapshot

Defect‐Engineered MOF‐801 With Enhanced Lewis Acidity for Efficient Transfer Hydrogenation of Furfural to Furfuryl Alcohol

inferred← citeshttps://doi.org/10.1002/sstr.202100203openalex-snapshot

Vacancies in Metal−Organic Frameworks: Formation, Arrangement, and Functions

inferred← citeshttps://doi.org/10.1007/430_2020_70openalex-snapshot

Crystallography Under High Pressures

inferred← citeshttps://doi.org/10.1007/s10562-022-04028-wopenalex-snapshot

Acid Regulation of Defective Sulfonic-Acid-Functionalized UiO-66 in the Esterification of Cyclohexene with Formic Acid

inferred← citeshttps://doi.org/10.1016/bs.adioch.2017.11.001openalex-snapshot

Mechanochemical Reactions of Metal-Organic Frameworks

inferred← citeshttps://doi.org/10.1016/j.apcata.2026.121051openalex-snapshot

High-throughput computational screening of cerium metal−organic frameworks for the hydrogenation of dicyclopentadiene to tetrahydro-dicyclopentadiene

inferred← citeshttps://doi.org/10.1016/j.ccr.2017.04.010openalex-snapshot

When defects turn into virtues: The curious case of zirconium-based metal-organic frameworks

inferred← citeshttps://doi.org/10.1016/j.ccr.2018.10.002openalex-snapshot

Metal–organic frameworks in Germany: From synthesis to function

inferred← citeshttps://doi.org/10.1016/j.ccr.2019.03.008openalex-snapshot

Elucidation of flexible metal-organic frameworks: Research progresses and recent developments

inferred← citeshttps://doi.org/10.1016/j.ccr.2022.214644openalex-snapshot

The chemistry of metal–organic frameworks with face-centered cubic topology

inferred← citeshttps://doi.org/10.1016/j.ccr.2024.216356openalex-snapshot

From construction strategies to applications: Multifunctional defective metal-organic frameworks

inferred← citeshttps://doi.org/10.1016/j.heliyon.2023.e20743openalex-snapshot

Physicochemical properties and density functional theory calculation of octahedral UiO-66 with Bis(Trifluoromethanesulfonyl)imide ionic liquids

inferred← citeshttps://doi.org/10.1016/j.inoche.2025.114850openalex-snapshot

Critical review of metal-organic framework (MOF) in direct methanol fuel cells: Membrane and electrocatalyst performance enhancement

inferred← citeshttps://doi.org/10.1016/j.jcat.2017.06.014openalex-snapshot

Nature of active sites on UiO-66 and beneficial influence of water in the catalysis of Fischer esterification

inferred← citeshttps://doi.org/10.1016/j.jelechem.2018.03.021openalex-snapshot

Encapsulation of platinum nanoparticles into a series of zirconium-based metal-organic frameworks: Effect of the carrier structures on electrocatalytic performances of composites

inferred← citeshttps://doi.org/10.1016/j.jhazmat.2021.127459openalex-snapshot

Validation of two contrasting capturing mechanisms for gaseous formaldehyde between two different types of strong metal-organic framework adsorbents

inferred← citeshttps://doi.org/10.1016/j.matt.2019.03.002openalex-snapshot

Structure-Mechanical Stability Relations of Metal-Organic Frameworks via Machine Learning

inferred← citeshttps://doi.org/10.1016/j.matt.2023.02.009openalex-snapshot

Absorbing stress via molecular crumple zones: Strain engineering flexibility into the rigid UiO-66 material

inferred← citeshttps://doi.org/10.1016/j.micromeso.2017.02.031openalex-snapshot

Role of MOF surface defects on the microscopic structure of MOF/polymer interfaces: A computational study of the ZIF-8/PIMs systems

inferred← citeshttps://doi.org/10.1016/j.micromeso.2019.01.046openalex-snapshot

Computational evaluation of the chemical warfare agents capture performances of robust MOFs

inferred← citeshttps://doi.org/10.1016/j.micromeso.2020.110765openalex-snapshot

Pressure-induced phase transition of isoreticular MOFs: Mechanical instability due to ligand buckling

inferred← citeshttps://doi.org/10.1016/j.micromeso.2021.111555openalex-snapshot

Water adsorption in ideal and defective UiO-66 structures

inferred← citeshttps://doi.org/10.1016/j.micromeso.2023.112922openalex-snapshot

A simulation study of linker vacancy distribution and its effect on UiO-66 stability

inferred← citeshttps://doi.org/10.1016/j.molstruc.2025.143091openalex-snapshot

Strategic Defect Manipulation in Zirconium-Based Metal-Organic Frameworks for Enhanced Structural and Functional Versatility

inferred← citeshttps://doi.org/10.1021/acs.accounts.7b00404openalex-snapshot

Reliably Modeling the Mechanical Stability of Rigid and Flexible Metal–Organic Frameworks

inferred← citeshttps://doi.org/10.1021/acs.cgd.3c01462openalex-snapshot

Growth of Metal Organic Frameworks on the Surface of Individual Cellulose Nanocrystals

inferred← citeshttps://doi.org/10.1021/acs.cgd.9b01477openalex-snapshot

Real-Time in Situ Monitoring of Particle and Structure Evolution in the Mechanochemical Synthesis of UiO-66 Metal–Organic Frameworks

inferred← citeshttps://doi.org/10.1021/acs.chemmater.0c00634openalex-snapshot

Designing Porous Materials to Resist Compression: Mechanical Reinforcement of a Zr-MOF with Structural Linkers

inferred← citeshttps://doi.org/10.1021/acs.chemmater.0c01922openalex-snapshot

Isolating the Role of the Node-Linker Bond in the Compression of UiO-66 Metal–Organic Frameworks

inferred← citeshttps://doi.org/10.1021/acs.chemmater.0c03889openalex-snapshot

Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal–Organic Frameworks

inferred← citeshttps://doi.org/10.1021/acs.chemmater.1c03236openalex-snapshot

Tunable Electrical Conductivity of Flexible Metal–Organic Frameworks

inferred← citeshttps://doi.org/10.1021/acs.chemmater.5c00821openalex-snapshot

Cluster-Based Machine Learning Potentials to Describe Disordered Metal–Organic Frameworks up to the Mesoscale

inferred← citeshttps://doi.org/10.1021/acs.chemmater.6b05444openalex-snapshot

Missing Linkers: An Alternative Pathway to UiO-66 Electronic Structure Engineering

inferred← citeshttps://doi.org/10.1021/acs.chemmater.7b04128openalex-snapshot

Tackling the Defect Conundrum in UiO-66: A Mixed-Linker Approach to Engineering Missing Linker Defects

inferred← citeshttps://doi.org/10.1021/acs.chemmater.8b04734openalex-snapshot

Active Role of Methanol in Post-Synthetic Linker Exchange in the Metal–Organic Framework UiO-66

inferred← citeshttps://doi.org/10.1021/acs.chemmater.9b05322openalex-snapshot

Machine Learning-Driven Insights into Defects of Zirconium Metal–Organic Frameworks for Enhanced Ethane–Ethylene Separation

inferred← citeshttps://doi.org/10.1021/acs.iecr.8b04107openalex-snapshot

Design and Synthesis of Ionic Liquid Supported Hierarchically Porous Zr Metal–Organic Framework as a Novel Brønsted–Lewis Acidic Catalyst in Biodiesel Synthesis

inferred← citeshttps://doi.org/10.1021/acs.iecr.9b03188openalex-snapshot

Tailoring the Properties of UiO-66 through Defect Engineering: A Review

inferred← citeshttps://doi.org/10.1021/acs.jctc.2c00010openalex-snapshot

Combined Deep Learning and Classical Potential Approach for Modeling Diffusion in UiO-66

inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00942openalex-snapshot

A Critical Assessment on Calculating Vibrational Spectra in Nanostructured Materials

inferred← citeshttps://doi.org/10.1021/acs.jctc.6c00862openalex-snapshot

MODEX: A Modular and Extensible Force Field for Metal–Organic Frameworks

inferred← citeshttps://doi.org/10.1021/acs.jctc.7b01014openalex-snapshot

Efficient Construction of Free Energy Profiles of Breathing Metal–Organic Frameworks Using Advanced Molecular Dynamics Simulations

inferred← citeshttps://doi.org/10.1021/acs.jctc.7b01134openalex-snapshot

The Importance of Cell Shape Sampling To Accurately Predict Flexibility in Metal–Organic Frameworks

inferred← citeshttps://doi.org/10.1021/acs.jpcb.0c11252openalex-snapshot

A Computational Study of Isopropyl Alcohol Adsorption and Diffusion in UiO-66 Metal–Organic Framework: The Role of Missing Linker Defect

inferred← citeshttps://doi.org/10.1021/acs.jpcc.0c07040openalex-snapshot

Modeling of Diffusion of Acetone in UiO-66

inferred← citeshttps://doi.org/10.1021/acs.jpcc.0c09796openalex-snapshot

Influence of Metal Defects on the Mechanical Properties of ABX3 Perovskite-Type Metal-formate Frameworks

inferred← citeshttps://doi.org/10.1021/acs.jpcc.2c04629openalex-snapshot

Impact of Loading-Dependent Intrinsic Framework Flexibility on Adsorption in UiO-66

inferred← citeshttps://doi.org/10.1021/acs.jpcc.2c06954openalex-snapshot

Effects of Missing Linker Defects on the Elastic Properties and Mechanical Stability of the Metal–Organic Framework HKUST-1

inferred← citeshttps://doi.org/10.1021/acs.jpcc.4c02982openalex-snapshot

The Impact of Missing Linker Defects in UiO-66 on Adsorption and Diffusion of Isopropyl Alcohol

inferred← citeshttps://doi.org/10.1021/acs.jpcc.4c07664openalex-snapshot

Probing the Structure of the Electrochemical Double Layer at a Platinum Electrode Coated with a Metal–Organic Framework

inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b00483openalex-snapshot

Effect of Benzoic Acid as a Modulator in the Structure of UiO-66: An Experimental and Computational Study

inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b08971openalex-snapshot

Methane Adsorption in Zr-Based MOFs: Comparison and Critical Evaluation of Force Fields

inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b00733openalex-snapshot

Screening Diffusion of Small Molecules in Flexible Zeolitic Imidazolate Frameworks Using a DFT-Parameterized Force Field

inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b03817openalex-snapshot

Computational Screening of Roles of Defects and Metal Substitution on Reactivity of Different Single- vs Double-Node Metal–Organic Frameworks for Sarin Decomposition

inferred← citeshttps://doi.org/10.1021/acs.jpclett.4c01815openalex-snapshot

Plasticity of Metal–Organic Framework Crystals: Thermally Activated Collapse of Nanopores

inferred← citeshttps://doi.org/10.1021/acs.langmuir.5c05135openalex-snapshot

Design of Electroactive Metal–Organic Framework-Based Thin Films via a Gel Precursor Method

inferred← citeshttps://doi.org/10.1021/acsaem.6c02350openalex-snapshot

Construction of Anion-Adsorbing UiO-67 Functionalized Polyimide Separator for Boosting Electrochemical Performance of Lithium-Metal Batteries

inferred← citeshttps://doi.org/10.1021/acsami.0c06080openalex-snapshot

Experimental Demonstration of Dynamic Temperature-Dependent Behavior of UiO-66 Metal–Organic Framework: Compaction of Hydroxylated and Dehydroxylated Forms of UiO-66 for High-Pressure Hydrogen Storage

inferred← citeshttps://doi.org/10.1021/acsami.0c07249openalex-snapshot

Defect Engineering of Copper Paddlewheel-Based Metal–Organic Frameworks of Type NOTT-100: Implementing Truncated Linkers and Its Effect on Catalytic Properties

inferred← citeshttps://doi.org/10.1021/acsami.1c23643openalex-snapshot

Defective UiO-66-NH 2 Functionalized with Stable Superoxide Radicals toward Electrocatalytic Nitrogen Reduction with High Faradaic Efficiency

inferred← citeshttps://doi.org/10.1021/acsami.2c13391openalex-snapshot

Computational Characterization of Zr-Oxide MOFs for Adsorption Applications

inferred← citeshttps://doi.org/10.1021/acsami.7b02887openalex-snapshot

Large-Scale Synthesis of Monodisperse UiO-66 Crystals with Tunable Sizes and Missing Linker Defects via Acid/Base Co-Modulation

inferred← citeshttps://doi.org/10.1021/acsami.8b03544openalex-snapshot

Dual Role of Water in Heterogeneous Catalytic Hydrolysis of Sarin by Zirconium-Based Metal–Organic Frameworks

inferred← citeshttps://doi.org/10.1021/acsmaterialslett.0c00042openalex-snapshot

Charting the Metal-Dependent High-Pressure Stability of Bimetallic UiO-66 Materials

inferred← citeshttps://doi.org/10.1021/acsmaterialslett.1c00250openalex-snapshot

Structural Chemistry of Metal–Organic Frameworks under Hydrostatic Pressures

inferred← citeshttps://doi.org/10.1021/acsomega.4c04186openalex-snapshot

Impact of Vertex Functionalization on Flexibility of Porous Organic Cages

inferred← citeshttps://doi.org/10.1021/acsphyschemau.5c00141openalex-snapshot

Challenges and Best Practices in Modeling Anisotropic Stresses in Soft Polymorphic Materials

inferred← citeshttps://doi.org/10.1021/jacs.0c13181openalex-snapshot

Probing the Influence of Defects, Hydration, and Composition on Prussian Blue Analogues with Pressure

inferred← citeshttps://doi.org/10.1021/jacs.1c11136openalex-snapshot

Exploration of Hierarchical Metal–Organic Framework as Ultralight, High-Strength Mechanical Metamaterials

inferred← citeshttps://doi.org/10.1021/jacs.4c05313openalex-snapshot

Node Distortions in UiO-66 Inform Negative Thermal Expansion Mechanisms: Kinetic Effects, Frustration, and Lattice Hysteresis

inferred← citeshttps://doi.org/10.1021/jacs.8b07098openalex-snapshot

Tuning the Mechanical Response of Metal–Organic Frameworks by Defect Engineering

inferred← citeshttps://doi.org/10.1021/jacs.9b13070openalex-snapshot

Engineering a Highly Defective Stable UiO-66 with Tunable Lewis- Brønsted Acidity: The Role of the Hemilabile Linker

inferred← citeshttps://doi.org/10.1038/s41467-017-02666-yopenalex-snapshot

Thermodynamic insight into stimuli-responsive behaviour of soft porous crystals

inferred← citeshttps://doi.org/10.1038/s41467-019-12754-wopenalex-snapshot

Unraveling the thermodynamic criteria for size-dependent spontaneous phase separation in soft porous crystals

inferred← citeshttps://doi.org/10.1038/s41467-021-23348-wopenalex-snapshot

Understanding disorder and linker deficiency in porphyrinic zirconium-based metal–organic frameworks by resolving the Zr8O6 cluster conundrum in PCN-221

inferred← citeshttps://doi.org/10.1038/s43246-024-00691-1openalex-snapshot

Benefits and complexity of defects in metal-organic frameworks

inferred← citeshttps://doi.org/10.1039/9781839166594-00113openalex-snapshot

Computational Modelling of MOF Mechanics: From Elastic Behaviour to Phase Transformations

inferred← citeshttps://doi.org/10.1039/9781839166594-00205openalex-snapshot

High-pressure Mechanical Behaviour Under Hydrostatic Compression

inferred← citeshttps://doi.org/10.1039/9781839166617-00231openalex-snapshot

Theoretical Understanding and Insights on Flexible Metal–Organic Frameworks

inferred← citeshttps://doi.org/10.1039/c7ce00338bopenalex-snapshot

Systematic study of the impact of MOF densification into tablets on textural and mechanical properties

inferred← citeshttps://doi.org/10.1039/c7sc04947aopenalex-snapshot

On the intrinsic dynamic nature of the rigid UiO-66 metal–organic framework

inferred← citeshttps://doi.org/10.1039/c7ta01559copenalex-snapshot

Mechanical properties of a gallium fumarate metal–organic framework: a joint experimental-modelling exploration

inferred← citeshttps://doi.org/10.1039/c7ta11155jopenalex-snapshot

Vacancy defect configurations in the metal–organic framework UiO-66: energetics and electronic structure

inferred← citeshttps://doi.org/10.1039/c9cc01468copenalex-snapshot

Novel metal–organic framework materials: blends, liquids, glasses and crystal–glass composites

inferred← citeshttps://doi.org/10.1039/c9fd00148dopenalex-snapshot

The micromechanical model to computationally investigate cooperative and correlated phenomena in metal–organic frameworks

inferred← citeshttps://doi.org/10.1039/c9ta01586hopenalex-snapshot

Pillared-layered metal–organic frameworks for mechanical energy storage applications

inferred← citeshttps://doi.org/10.1039/d0dt03705bopenalex-snapshot

Water adsorption fingerprinting of structural defects/capping functions in Zr–fumarate MOFs: a hybrid computational-experimental approach

inferred← citeshttps://doi.org/10.1039/d2me00033dopenalex-snapshot

Mixed membrane matrices (MMMs) based on Nafion® pristine/defected-UiO-66(Zr) MOFs: assessment of the effects of dopants on cluster morphology

inferred← citeshttps://doi.org/10.1039/d2ta00503dopenalex-snapshot

Defect-engineered MOF-801 for cycloaddition of CO 2 with epoxides

inferred← citeshttps://doi.org/10.1039/d3cp01063eopenalex-snapshot

UiO-66 framework with an encapsulated spin probe: synthesis and exceptional sensitivity to mechanical pressure

inferred← citeshttps://doi.org/10.1039/d4ra01859aopenalex-snapshot

An automated protocol to construct flexibility parameters for classical forcefields: applications to metal–organic frameworks

inferred← citeshttps://doi.org/10.1039/d4ta04252bopenalex-snapshot

Effect of water loading on the stability of pristine and defective UiO-66

inferred← citeshttps://doi.org/10.1039/d4ta06167eopenalex-snapshot

A fluorinated zirconium-based metal–organic framework as a platform for the capture and removal of perfluorinated pollutants from air and water

inferred← citeshttps://doi.org/10.1039/d5ta08080kopenalex-snapshot

Combining chemical, geometric, and novel topological features to develop generalizable machine learning models for predicting mechanically stable MOFs

inferred← citeshttps://doi.org/10.1039/d6gc02322copenalex-snapshot

A mild in situ strategy for enzyme encapsulation in MOFs mediated by postsynthetic ligand exchange

inferred← citeshttps://doi.org/10.1039/d6ta03135hopenalex-snapshot

Water dynamics and topology in UiO-66 metal–organic frameworks: influence of defect concentration and distribution

inferred← citeshttps://doi.org/10.1063/1.5126911openalex-snapshot

Metal–organic frameworks under pressure

inferred← citeshttps://doi.org/10.1098/rsta.2022.0239openalex-snapshot

Challenges in modelling dynamic processes in realistic nanostructured materials at operating conditions

inferred← citeshttps://doi.org/10.22144/ctujos.2024.387openalex-snapshot

Tổng hợp vật liệu rắn Zr MOF xúc tác phân hủy Polyethylene Terephthalate

inferred← citeshttps://doi.org/10.26434/chemrxiv.12918968openalex-snapshot

Disorder and Linker Deficiency in Porphyrinic Zr-MOFs: Resolving the Zr8O6 Cluster Conundrum in PCN-221

inferred← citeshttps://doi.org/10.3390/catal13010205openalex-snapshot

Effect of Modulation and Functionalization of UiO-66 Type MOFs on Their Surface Thermodynamic Properties and Lewis Acid–Base Behavior

inferred← citeshttps://doi.org/10.3390/molecules26247620openalex-snapshot

Zirconium-Based Metal Organic Frameworks for the Capture of Carbon Dioxide and Ethanol Vapour. A Comparative Study

inferred← citeshttps://doi.org/10.3390/molecules30102247openalex-snapshot

Pressure Sensitivity of UiO-66 Framework with Encapsulated Spin Probe: A Molecular Dynamics Study

inferred← citeshttps://doi.org/10.3390/nano13111793openalex-snapshot

Calculation of Self, Corrected, and Transport Diffusivities of Isopropyl Alcohol in UiO-66

inferred← citeshttps://doi.org/10.3390/polym11122090openalex-snapshot

Recent Innovation of Metal-Organic Frameworks for Carbon Dioxide Photocatalytic Reduction

inferred← citeshttps://doi.org/10.48550/arxiv.1701.01714openalex-snapshot

Comment on "Minimal Basis Iterative Stockholder: Atoms in Molecules for Force-Field Development"

inferred← citeshttps://doi.org/10.5772/intechopen.80698openalex-snapshot

Density Functional Theory Studies of Catalytic Sites in Metal- Organic Frameworks

inferred← citeshttps://doi.org/10.70675/a933ab39z5c5cz4857z8888zcd20ac013bd0openalex-snapshot

Computational evaluation of MOFs for their adsorption and catalytic degradation performances with respect to chemical warfare agents

Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.